SCHEMBL6540182

SCHEMBL6540182

N#Cc1ccc(Sc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.56
MAOA P21397 7/20 0.56
HTT P42858 2/20 0.54
CTBP2 P56545 1/20 0.53
FFAR1 O14842 1/20 0.51
CYP26A1 O43174 1/20 0.48
RXRA P19793 2/20 0.47
RXRG P48443 2/20 0.47
CA2 P00918 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
AKR1B1 P15121 1/20 0.44
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL335492 0.89 CTBP2 (0.62) HTTCTBP2FFAR1RXRARXRG
Hydrochloric Acid SCHEMBL7981327 0.87 CTBP2 (0.61) HTTCTBP2FFAR1RXRARXRG
SCHEMBL29236556 0.87 CTBP2 (0.61) HTTCTBP2FFAR1RXRARXRG
SCHEMBL13464286 0.85 CA2 (0.60) HTTFFAR1CYP26A1CA2CAMK2A
SCHEMBL6539925 0.85 LMNA (0.50) MAOBMAOAHTTFFAR1CYP26A1
SCHEMBL8185095 0.84 HTT (0.62) HTTCTBP2FFAR1RXRARXRG
SCHEMBL11301868 0.80 AKR1B1 (0.64) HTTFFAR1CYP26A1CA2CAMK2A
SCHEMBL6917099 0.79 SRD5A2 (0.57) MAOBHTTCTBP2FFAR1RXRA
SCHEMBL3178059 0.78 MAOB (0.59) MAOBMAOAHTTCA2SAE1
SCHEMBL6932397 0.78 CA2 (0.76) HTTCTBP2FFAR1CYP26A1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 MAOB 1679/4885MAOA 1544/4885HTT 1971/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.